[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate

C24H24N2O4S — CID 30818019

IUPAC[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
SMILESCC(C)N(Cc1ccccc1)C(=O)COC(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C24H24N2O4S/c1-17(2)26(15-18-8-4-3-5-9-18)22(27)16-30-24(29)19-10-6-11-20(14-19)25-23(28)21-12-7-13-31-21/h3-14,17H,15-16H2,1-2H3,(H,25,28)
InChIKeyHAQQERKKLHHPDV-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.59
Rot. Bonds8

About [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate (PubChem CID 30818019) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
PubChem CID30818019
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
SMILESCC(C)N(Cc1ccccc1)C(=O)COC(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C24H24N2O4S/c1-17(2)26(15-18-8-4-3-5-9-18)22(27)16-30-24(29)19-10-6-11-20(14-19)25-23(28)21-12-7-13-31-21/h3-14,17H,15-16H2,1-2H3,(H,25,28)
InChIKeyHAQQERKKLHHPDV-UHFFFAOYSA-N
XLogP4.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 30819107
[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815212
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7888749
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-phenoxybenzoate
CID 2511443
[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 27044974
[2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 30817856
[2-(2-fluorophenyl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7491975
[(2S)-1-amino-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 8597716
[2-(dibenzylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 7842609
[2-(3-chloroanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7491904
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 33065558
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7491917

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate (CID 30818019) is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate is CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate?
The InChIKey is HAQQERKKLHHPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-17(2)26(15-18-8-4-3-5-9-18)22(27)16-30-24(29)19-10-6-11-20(14-19)25-23(28)21-12-7-13-31-21/h3-14,17H,15-16H2,1-2H3,(H,25,28).
What are the key properties of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate?
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate has a molecular weight of 436.53 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 30818019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).